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4H-1,2,3-Triazole-4-carboxylic acid, 5-phenyl-, 1-oxide

View entire compound with spectra: 1 MS (GC)

4H-1,2,3-Triazole-4-carboxylic acid, 5-phenyl-, 1-oxide
SpectraBase Compound ID E9lwCADhIxF
InChI InChI=1S/C9H7N3O3/c13-9(14)7-8(12(15)11-10-7)6-4-2-1-3-5-6/h1-5,7H,(H,13,14)
InChIKey ZLIYKSWWXHNWHQ-UHFFFAOYSA-N
Mol Weight 205.17 g/mol
Molecular Formula C9H7N3O3
Exact Mass 205.048741 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4bfKb8UevR2
Name 4H-1,2,3-Triazole-4-carboxylic acid, 5-phenyl-, 1-oxide
Alternate Name(s) 1-Oxido-5-phenyl-4H-triazol-1-ium-4-carboxylic acid 5-Phenyl-4H-1,2,3-triazole-4-carboxylic acid 1-oxide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H7N3O3
InChI InChI=1S/C9H7N3O3/c13-9(14)7-8(12(15)11-10-7)6-4-2-1-3-5-6/h1-5,7H,(H,13,14)
InChIKey ZLIYKSWWXHNWHQ-UHFFFAOYSA-N
Molecular Weight 205.173 g/mol
SMILES OC(C1C(=[N+](N=N1)[O-])c1ccccc1)=O
SPLASH splash10-0kbs-9500000000-1fdfe623945ea80e5e5c
Source of Spectrum AD-0-2532-0
Wiley ID 1431745